(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine

C15H23NO3S — CID 16663379

IUPAC(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-11(2)15-10-5-12(3)16(15)20(17,18)14-8-6-13(19-4)7-9-14/h6-9,11-12,15H,5,10H2,1-4H3/t12-,15-/m1/s1
InChIKeyHOMQEQAVCRWYTI-IUODEOHRSA-N
MW297.42 g/mol
LogP2.89
Rot. Bonds4

About (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine

(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine (PubChem CID 16663379) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
PubChem CID16663379
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-11(2)15-10-5-12(3)16(15)20(17,18)14-8-6-13(19-4)7-9-14/h6-9,11-12,15H,5,10H2,1-4H3/t12-,15-/m1/s1
InChIKeyHOMQEQAVCRWYTI-IUODEOHRSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
(2S,5S)-1-(4-fluorophenyl)sulfonyl-2-(1-methoxyethyl)-5-methylpyrrolidine
CID 140922101
1-[[(2S,5R)-1-(4-methoxyphenyl)sulfonyl-5-propan-2-ylpyrrolidin-2-yl]methoxy]-2,2,6,6-tetramethylpiperidine
CID 101469644
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
2-methyl-1-(2-nitrophenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 177473183
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]oct-2-ene
CID 90627390
(2S,5S)-1-(4-fluorophenyl)sulfonyl-2-(1-methoxyethyl)-5-methylpyrrolidine;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid
CID 158618436
9-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719776

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine?
The IUPAC name of (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine (CID 16663379) is (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine is COc1ccc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(C)C)cc1.
What is the InChIKey of (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine?
The InChIKey is HOMQEQAVCRWYTI-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)15-10-5-12(3)16(15)20(17,18)14-8-6-13(19-4)7-9-14/h6-9,11-12,15H,5,10H2,1-4H3/t12-,15-/m1/s1.
What are the key properties of (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine?
(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine has a molecular weight of 297.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine is sourced from PubChem (CID 16663379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).